2,4-Bis(trifluoromethyl)phenylboronic acid

The IUPAC name of 2,4-Bis(trifluoromethyl)phenylboronic acid is [2,4-bis(trifluoromethyl)phenyl]boronic acid. With the CAS registry number 153254-09-2, it is also named as 2,4-Bis(trifluoromethyl)benzeneboronic acid. The product's categories are Blocks; Boronic Acids; Substituted Boronic Acids; Boronic Acids & Esters; Phenyls & Phenyl-Het; Aryl; Halogenated; Organoborons; B (Classes of Boron Compounds); Boronic Acids; Boronic acid; Boronic Acids & Esters; Phenyls & Phenyl-Het; Boronic Acids; Boronic Acids and Derivatives. Besides, it is white solid, which should be stored in closed, cool, ventilated and dry place. In addition, its molecular formula is C₈H₅BF₆O₂ and molecular weight is 257.93.

The other characteristics of 2,4-Bis(trifluoromethyl)phenylboronic acid can be summarized as: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/LogD (pH 7.4): 2.71; (5)ACD/BCF (pH 5.5): 113.29; (6)ACD/BCF (pH 7.4): 57.23; (7)ACD/KOC (pH 5.5): 1024.37; (8)ACD/KOC (pH 7.4): 517.47; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.419; (14)Molar Refractivity: 43.26 cm³; (15)Molar Volume: 171.1 cm³; (16)Polarizability: 17.15×10^-24cm³; (17)Surface Tension: 28.5 dyne/cm; (18)Density: 1.5 g/cm³; (19)Flash Point: 102.2 °C; (20)Enthalpy of Vaporization: 50.98 kJ/mol; (21)Boiling Point: 245.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0154 mmHg at 25 °C; (23)Melting point: 110-117 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: FC(F)(F)c1cc(ccc1B(O)O)C(F)(F)F
(2)InChI: InChI=1/C8H5BF6O2/c10-7(11,12)4-1-2-6(9(16)17)5(3-4)8(13,14)15/h1-3,16-17H
(3)InChIKey: WLYPBMBWKYALCG-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C8H5BF6O2/c10-7(11,12)4-1-2-6(9(16)17)5(3-4)8(13,14)15/h1-3,16-17H
(5)Std. InChIKey: WLYPBMBWKYALCG-UHFFFAOYSA-N